3IV7

Crystal structure of Iron-containing alcohol dehydrogenase (NP_602249.1) from Corynebacterium glutamicum ATCC 13032 KITASATO at 2.07 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	58.728, 79.003, 160.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.880 - 2.070
R-factor	0.173
Rwork	0.171
R-free	0.22100
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.880	28.880	2.140
High resolution limit [Å]	2.070	4.440	2.070
Rmerge	0.034	0.015	0.311
Number of reflections	45653	8127	8299
<I/σ(I)>	14.29	41.6	2.3
Completeness [%]	97.6	90.9	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	1.0000M LiCl, 20.0000% PEG-6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K